N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine

C18H26N2O — CID 102985914

IUPACN-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC(C)CCC)c2ccccc2n1
InChIInChI=1S/C18H26N2O/c1-4-8-14(3)21-18-12-15(13-19-11-5-2)20-17-10-7-6-9-16(17)18/h6-7,9-10,12,14,19H,4-5,8,11,13H2,1-3H3
InChIKeyYKXIKZLPBGPAIV-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.30
Rot. Bonds8

About N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine

N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine (PubChem CID 102985914) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine
PubChem CID102985914
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC NameN-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine
SMILESCCCNCc1cc(OC(C)CCC)c2ccccc2n1
InChIInChI=1S/C18H26N2O/c1-4-8-14(3)21-18-12-15(13-19-11-5-2)20-17-10-7-6-9-16(17)18/h6-7,9-10,12,14,19H,4-5,8,11,13H2,1-3H3
InChIKeyYKXIKZLPBGPAIV-UHFFFAOYSA-N
XLogP4.30
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(4-pentan-2-yloxyquinolin-2-yl)methanamine
CID 102985707
N-[(4-butan-2-yloxyquinolin-2-yl)methyl]-2-methylpropan-2-amine
CID 63377139
N-methyl-N-propyl-2-(propylaminomethyl)quinolin-4-amine
CID 63374301
N-[(4-pyrazol-1-ylquinolin-2-yl)methyl]propan-1-amine
CID 63377528
N-[(5-methyl-2-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013308
N-[(4-prop-2-enoxyquinolin-2-yl)methyl]ethanamine
CID 63377578
N-methyl-1-[4-(2-methylpropoxy)quinolin-2-yl]methanamine
CID 63377132
N-[(4-methoxy-3-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890766
N-[(3-fluoro-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 114013330
2-chloro-4-pentan-2-yloxyquinazoline
CID 102981560
N-[[2-(2,2-difluoroethoxy)quinolin-4-yl]methyl]propan-1-amine
CID 82005872
N-[(3,5-dimethyl-4-pentan-2-yloxyphenyl)methyl]propan-1-amine
CID 107890682

Frequently Asked Questions

What is the IUPAC name of N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine (CID 102985914) is N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine is CCCNCc1cc(OC(C)CCC)c2ccccc2n1.
What is the InChIKey of N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine?
The InChIKey is YKXIKZLPBGPAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-4-8-14(3)21-18-12-15(13-19-11-5-2)20-17-10-7-6-9-16(17)18/h6-7,9-10,12,14,19H,4-5,8,11,13H2,1-3H3.
What are the key properties of N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine?
N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine has a molecular weight of 286.42 g/mol, XLogP of 4.30, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-pentan-2-yloxyquinolin-2-yl)methyl]propan-1-amine is sourced from PubChem (CID 102985914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).